N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide

C11H15F3N2O4S2 — CID 113070952

IUPACN-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C11H15F3N2O4S2/c1-21(17,18)15-7-8-16(22(2,19)20)10-5-3-9(4-6-10)11(12,13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyDAOXAHFYHBLIGR-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.02
Rot. Bonds6

About N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide

N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide (PubChem CID 113070952) has the molecular formula C11H15F3N2O4S2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide
PubChem CID113070952
Molecular FormulaC11H15F3N2O4S2
Molecular Weight360.38 g/mol
Exact Mass360.04
IUPAC NameN-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C11H15F3N2O4S2/c1-21(17,18)15-7-8-16(22(2,19)20)10-5-3-9(4-6-10)11(12,13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyDAOXAHFYHBLIGR-UHFFFAOYSA-N
XLogP1.02
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113061531
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145294
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113069709
methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069636
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070529
N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
CID 113069972

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide (CID 113070952) is N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide is CS(=O)(=O)NCCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide?
The InChIKey is DAOXAHFYHBLIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4S2/c1-21(17,18)15-7-8-16(22(2,19)20)10-5-3-9(4-6-10)11(12,13)14/h3-6,15H,7-8H2,1-2H3.
What are the key properties of N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide?
N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide has a molecular weight of 360.38 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide is sourced from PubChem (CID 113070952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).